Information card for entry 2229518

Structure parameters

• Chemical name: 9a-Hydroxy-3,8a-dimethyl-5-methylene-4,4a,5,6,9,9a-hexahydronaphtho[2,3- <i>b</i>]furan-2(8a<i>H</i>)-one
• Formula: C15 H18 O3
• Calculated formula: C15 H18 O3
• SMILES: O1C(=O)C(=C2C[C@H]3C(=C)CC=C[C@@]3(C[C@]12O)C)C
• Title of publication: 9a-Hydroxy-3,8a-dimethyl-5-methylene-4,4a,5,6,9,9a-hexahydronaphtho[2,3-<i>b</i>]furan-2(8a<i>H</i>)-one
• Authors of publication: Liu, Wen-Hong; He, Jie; Ding, Zhi-Shan; Song, Zhong-Cheng; Zhan, Zha-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o730 - o731
• a: 9.515 ± 0.0019 Å
• b: 10.885 ± 0.002 Å
• c: 12.594 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1304.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes